| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 21 | Yes |
Popular Name: (1S)-1-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-imidazol-2-yl]butan-1-amine (1S)-1-[5-(3,4-dihydro-2H-1,5-be…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.41 | 5.11 | -57.02 | 4 | 5 | 1 | 75 | 288.371 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.41 | 4.8 | -11.41 | 3 | 5 | 0 | 73 | 287.363 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.41 | 5.48 | -126.19 | 5 | 5 | 2 | 76 | 289.379 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
